Information card for entry 7104228

Structure parameters

• Formula: C18 H16 Fe I N O
• Calculated formula: C18 H16 Fe I N O
• SMILES: I[c]12[Fe]3456789([cH]1[cH]3[cH]4[c]25C(=O)N(C)c1ccccc1)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Induction of one-handed helical oligo(p-benzamide)s by domino effect based on planar-axial-helical chirality relay.
• Authors of publication: Kamikawa, Ken; Fukumoto, Keisuke; Yoshihara, Kohei; Furusyo, Masaru; Uemura, Motokazu; Takemoto, Shin; Matsuzaka, Hiroyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1201 - 1203
• a: 11.742 ± 0.003 Å
• b: 11.742 ± 0.003 Å
• c: 24.521 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3381 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No